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| Naji, M. |
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| Motta, Antonella |
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| Aletan, Dirar |
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| Mohamed, Tarek |
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| Ertürk, Emre |
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| Taccardi, Nicola |
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| Kononenko, Denys |
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| Petrov, R. H. | Madrid |
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| Alshaaer, Mazen | Brussels |
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| Bih, L. |
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| Casati, R. |
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| Muller, Hermance |
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| Kočí, Jan | Prague |
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| Šuljagić, Marija |
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| Kalteremidou, Kalliopi-Artemi | Brussels |
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| Azam, Siraj |
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| Ospanova, Alyiya |
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| Blanpain, Bart |
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| Ali, M. A. |
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| Popa, V. |
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| Rančić, M. |
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| Ollier, Nadège |
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| Azevedo, Nuno Monteiro |
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| Landes, Michael |
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| Rignanese, Gian-Marco |
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Calbo, Joaquín
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Publications (4/4 displayed)
- 2024Growth mechanism of oleylammonium-based tin and lead bromide perovskite nanostructurescitations
- 2023Chalcohalide Antiperovskite Thin Films with Visible Light Absorption and High Charge-Carrier Mobility Processed by Solvent-Free and Low-Temperature Methodscitations
- 2022Through-space hopping transport in an iodinedoped perylene-based metal–organic frameworkcitations
- 2019Accumulation of Deep Traps at Grain Boundaries in Halide Perovskitescitations
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article
Accumulation of Deep Traps at Grain Boundaries in Halide Perovskites
Abstract
<p>The behavior of grain boundaries in polycrystalline halide perovskite solar cells remains poorly understood. Whereas theoretical studies indicate that grain boundaries are not active for electron-hole recombination, there have been observations of higher nonradiative recombination rates involving these extended defects. We find that iodine interstitial defects, which have been established as a recombination center in bulk crystals, tend to segregate at planar defects in CsPbI<sub>3</sub>. First-principles calculations show that enhanced structural relaxation of the defects at grain boundaries results in increased stability (higher concentration) and deeper trap states (faster recombination). We show how the grain boundary can be partly passivated by halide mixing or extrinsic doping, which replaces or suppresses the formation of trap states close to the grain boundaries.</p>